3-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)Amino]Benzoic Acid

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Formula C15H17N2O7P
IUPAC Name 3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]benzoic acid
Molecular Mass 368.278 g·mol−1
Heat of Formation -1391.1 ± 16.7 kJ·mol−1
Dipole Moment 1.16 ± 1.08 D
Volume 398.19 Å 3
Surface Area 349.53 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[o-phosphonopyridoxyl]--amino-benzoic acid
  • 3-carboxyphenylpyridoxamine 5-phosphate
  • 3-cppap
  • benzoic acid, 3-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)amino)-
  • gbc-plp
  • pxg
CAS Number(s)
  • 63844-77-9
InChIKey WSOQXCGRIUHULI-UHFFFAOYSA-N
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